Adsorption, Absorption, Diffusion, and Permeation of Hydrogen and Its Isotopes in bcc Bulk Fe and Fe(100) Surface: Plane Wave-Based Density Functional Theoretical Investigations

Boda, A.Ali, S. M.Shenoy, K. T.Mohan, S.2020-11-112020-11-112019Journal of Physical Chemistry C, 2019. Vol. 123: pp. 23951-23966http://hdl.handle.net/123456789/212844508 bytestext/htmlenAdsorption, Absorption, Diffusion, and PermeationHydrogen and Its Isotopesbcc Bulk Fe and Fe(100) SurfacePlane Wave-Based Density Functional Theoretical InvestigationsAdsorption, Absorption, Diffusion, and Permeation of Hydrogen and Its Isotopes in bcc Bulk Fe and Fe(100) Surface: Plane Wave-Based Density Functional Theoretical InvestigationsArticle